SCHEMBL19995444

SCHEMBL19995444

O=C(OC=C1CCN(C(=O)O)C1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ SRD5A2 P31213 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20305039 0.73 ALDH1A1 (0.46) TSHRALDH1A1SRD5A2HPGDMAPT
SCHEMBL25268554 0.68 SRD5A2 (0.44) ALDH1A1SRD5A2MAPT
SCHEMBL6194728 0.67 OGA (0.50) TSHRALDH1A1SRD5A2HPGDMAPT
SCHEMBL22468405 0.67 MEN1 (0.31) KMT2AMEN1MAPTTAAR1
SCHEMBL22468396 0.67 MEN1 (0.31) KMT2AMEN1MAPTTAAR1
SCHEMBL28182671 0.65 LMNA (0.61) KMT2ATSHRF2LMNAALDH1A1
SCHEMBL11229507 0.65 LMNA (0.61) KMT2ATSHRF2LMNAALDH1A1
SCHEMBL322928 0.65 NOTUM (0.70) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL11236018 0.65 KMT2A (0.50) KMT2AMEN1TSHRCASP3SENP7
SCHEMBL176857 0.65 F2 (0.45) KMT2AMEN1TSHRCASP3SENP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515888-A1 TRPV4 ANTAGONISTS GlaxoSmithKline Intellectual Property (No. 2) Limited (GB) 2019-07-31 — — EP disclosed
WO-2018055526-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 — — WO disclosed
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